Dear Professor Andrei Postnikov, I’m also having problem in Denchar calculations.
When I try to generate the MO number 112 to 120 the output files always calculate the first ten cube files. I attached my input file. This is the first time I am using Denchar utility. Can you suggest me a solution to overcome this problem. Wishes, Anita On 9 December 2016 at 02:33, Andrei Postnikov < [email protected]> wrote: > Dear 木材, > you might find useful to have a look at > http://departments.icmab.es/leem/siesta/Documentation/ > Tutorials/Lyon-2007/Postnikov-visual.pdf > (from page 9 on), > > best regards > > Andrei Postnikov > > > ----- 木材 <[email protected]> a écrit : > > > Dear all > When complete the calculation of siesta and get a file > selected.WFSX,I know it is for LUMO and HOMO,but how to deal with it and > plot? I really hope to get your hlep,hope your comment. > > >
Denchar.fdf
Description: application/vnd.fdf
